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INDOFINE-ZINC00407033

 MMsINC code: MMs02091504
Type: Neutral
Formula: C10H8O2
SMILES:   O1c2cc(ccc2C=CC1=O)C
InChI:   InChI=1/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.172 g/mol  logS: -3.24492  SlogP: 1.92722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125519  Sterimol/B1: 2.10273  Sterimol/B2: 2.51215  Sterimol/B3: 3.43615
  Sterimol/B4: 4.65972  Sterimol/L: 11.0641 
 
 Surface and Volume Properties
  Accessible surface: 344.314  Positive charged surface: 182.639  Negative charged surface: 161.675  Volume: 156.625
  Hydrophobic surface: 277.638  Hydrophilic surface: 66.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.